(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile
TL;DR: (5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile (CAS 127882-56-8) is a chemical compound with molecular formula C28H24N2O7 and molecular weight 500.15836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile
Also Known As: (5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile, 4-[[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile, 4-{[(5R,9S)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}benzonitrile, 4-{[9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}benzonitrile
Technical Specifications
| Molecular Formula | C28H24N2O7 |
| Molecular Weight | 500.15836 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.15836 Da |
| Heavy Atoms | 37 |
| Complexity | 871.0 |
| SMILES | COC1=CC(=CC(=C1O)OC)[C@@H]2C3C(COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C#N |
| InChIKey | DSVDQMLQXBKSBA-DRUBAWLRSA-N |
Chemical Property Profile of (5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile
Property Insights of (5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile
The XLogP value of 3.8 indicates that (5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile. Following Lipinski's Rule of Five, (5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile?
The CAS number of (5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile is 127882-56-8.
What is the molecular formula of (5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile?
The molecular formula of (5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile is C28H24N2O7.
What is the molecular weight of (5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile?
The molecular weight of (5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile is 500.15836 g/mol.
Where can I buy (5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile?
You can request a quote for (5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile?
Yes, CoreyChem provides custom synthesis services for (5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.